CID 135615631

2-amino-3,5-dibromo-n'-(4-hydroxy-3-methoxybenzylidene)benzohydrazide

Structural Information

Molecular Formula
C15H13Br2N3O3
SMILES
COC1=C(C=CC(=C1)/C=N/NC(=O)C2=C(C(=CC(=C2)Br)Br)N)O
InChI
InChI=1S/C15H13Br2N3O3/c1-23-13-4-8(2-3-12(13)21)7-19-20-15(22)10-5-9(16)6-11(17)14(10)18/h2-7,21H,18H2,1H3,(H,20,22)/b19-7+
InChIKey
ZBPOVPGQPLBQOG-FBCYGCLPSA-N
Compound name
2-amino-3,5-dibromo-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

440.93237 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 441.93965 172.9
[M+Na]+ 463.92159 180.9
[M-H]- 439.92509 181.0
[M+NH4]+ 458.96619 185.8
[M+K]+ 479.89553 164.2
[M+H-H2O]+ 423.92963 176.1
[M+HCOO]- 485.93057 189.6
[M+CH3COO]- 499.94622 229.0
[M+Na-2H]- 461.90704 175.8
[M]+ 440.93182 205.8
[M]- 440.93292 205.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.